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CHEBI:200087 - (1S,3aS,4R,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol

Default Structure
ChEBI IDCHEBI:200087
ChEBI Name(1S,3aS,4R,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O2
Net Charge0
Average Mass240.387
Monoisotopic Mass240.20893
SMILESC[C@H]1CC[C@H]2[C@H]1C[C@H](C(C)(C)O)CC[C@@]2(C)O
InChIInChI=1S/C15H28O2/c1-10-5-6-13-12(10)9-11(14(2,3)16)7-8-15(13,4)17/h10-13,16-17H,5-9H2,1-4H3/t10-,11+,12-,13-,15+/m0/s1
InChIKeyNAGNILQBMVLGAF-WHRXGGIHSA-N
Species of MetaboliteComponentSourceComments
Pithomycesspecies (ncbitaxon:2032998) - PubMed (12932132)
ChEBI Ontology
Outgoing Relation(s)
(1S,3aS,4R,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol (CHEBI:200087) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3aS,4R,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
Manual XrefsDatabases
10195672ChemSpider